2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide

C17H25N5O — CID 72844365

IUPAC2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NCCn2nc(C)nc2C)N(C)C)cc1
InChIInChI=1S/C17H25N5O/c1-12-6-8-15(9-7-12)16(21(4)5)17(23)18-10-11-22-14(3)19-13(2)20-22/h6-9,16H,10-11H2,1-5H3,(H,18,23)
InChIKeyQNAYFBPXISXVTF-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.62
Rot. Bonds6

About 2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide

2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide (PubChem CID 72844365) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide
PubChem CID72844365
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(C(C(=O)NCCn2nc(C)nc2C)N(C)C)cc1
InChIInChI=1S/C17H25N5O/c1-12-6-8-15(9-7-12)16(21(4)5)17(23)18-10-11-22-14(3)19-13(2)20-22/h6-9,16H,10-11H2,1-5H3,(H,18,23)
InChIKeyQNAYFBPXISXVTF-UHFFFAOYSA-N
XLogP1.62
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97117026
2-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]acetamide
CID 91793731
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-(2-pyrrol-1-ylethyl)acetamide
CID 97126387
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]acetamide
CID 97202624
2-(dimethylamino)-N-(3-hydroxypropyl)-2-(4-methylphenyl)acetamide
CID 72902135
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 97136296
(2R)-2-(dimethylamino)-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 97200456
4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 97269726
2-(dimethylamino)-N-[(2,6-dimethyl-4-pyridinyl)methyl]-2-(4-methylphenyl)acetamide
CID 72873453
1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(4-methylphenyl)urea
CID 72891236
2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide
CID 72904212
2-(dimethylamino)-N-[(3-ethylimidazol-4-yl)methyl]-2-(4-methylphenyl)acetamide
CID 50955551

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide (CID 72844365) is 2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide is Cc1ccc(C(C(=O)NCCn2nc(C)nc2C)N(C)C)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide?
The InChIKey is QNAYFBPXISXVTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-12-6-8-15(9-7-12)16(21(4)5)17(23)18-10-11-22-14(3)19-13(2)20-22/h6-9,16H,10-11H2,1-5H3,(H,18,23).
What are the key properties of 2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide?
2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide has a molecular weight of 315.42 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 72844365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).